3aH-Furo[3,2-c]isobenzofuran-8-methanol, 5,5a,6,7,8,9-hexahydro-α,α,3a,5a-tetramethyl-, 8-acetate, (3aR,5aS,8R,9aR)-
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![3aH-Furo[3,2-c]isobenzofuran-8-methanol, 5,5a,6,7,8,9-hexahydro-α,α,3a,5a-tetramethyl-, 8-acetate, (3aR,5aS,8R,9aR)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5644b001a959442296d326d606d0cecb.png "3aH-Furo[3,2-c]isobenzofuran-8-methanol, 5,5a,6,7,8,9-hexahydro-α,α,3a,5a-tetramethyl-, 8-acetate, (3aR,5aS,8R,9aR)-")
3aH-Furo[3,2-c]isobenzofuran-8-methanol, 5,5a,6,7,8,9-hexahydro-α,α,3a,5a-tetramethyl-, 8-acetate, (3aR,5aS,8R,9aR)-
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CAS No:
37209-50-0
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Formula:
C17H26O4
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Chemical Name:
3aH-Furo[3,2-c]isobenzofuran-8-methanol, 5,5a,6,7,8,9-hexahydro-α,α,3a,5a-tetramethyl-, 8-acetate, (3aR,5aS,8R,9aR)-
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Synonyms:
3aH-Furo[3,2-c]isobenzofuran-8-methanol,5,5a,6,7,8,9-hexahydro-α,α,3a,5a-tetramethyl-,8-acetate,(3aR,5aS,8R,9aR)-;3aH-Furo[3,2-c]isobenzofuran-8-methanol,5,5a,6,7,8,9-hexahydro-α,α,3a,5a-tetramethyl-,acetate,(3aR,5aS,8R,9aR)-;Phytuberin;(-)-Phytuberin;39311-20-1;55304-03-5
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CAS No:
Description
Phytuberin is a sesquiterpenoid commonly found in potatoes. It has a role as a plant metabolite. It is a sesquiterpenoid, an acetate ester, an organic heterotricyclic compound and a cyclic ether.
3aH-Furo[3,2-c]isobenzofuran-8-methanol, 5,5a,6,7,8,9-hexahydro-α,α,3a,5a-tetramethyl-, 8-acetate, (3aR,5aS,8R,9aR)- Basic Attributes
294.4 g/mol
294.39
RR00OUQ5B6
Computed Properties
Molecular Weight:294.4
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:294.18310931
Monoisotopic Mass:294.18310931
Topological Polar Surface Area:44.8
Heavy Atom Count:21
Complexity:497
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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